4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C23H30N4O2 — CID 120596728

IUPAC4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(N)(C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-23(24,20-7-3-2-4-8-20)22(29)26-17-18-9-11-19(12-10-18)21(28)25-13-16-27-14-5-6-15-27/h2-4,7-12H,5-6,13-17,24H2,1H3,(H,25,28)(H,26,29)
InChIKeyPEQDTLBFTKBFGS-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.00
Rot. Bonds8

About 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 120596728) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID120596728
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(N)(C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-23(24,20-7-3-2-4-8-20)22(29)26-17-18-9-11-19(12-10-18)21(28)25-13-16-27-14-5-6-15-27/h2-4,7-12H,5-6,13-17,24H2,1H3,(H,25,28)(H,26,29)
InChIKeyPEQDTLBFTKBFGS-UHFFFAOYSA-N
XLogP2.00
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-amino-2-methylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881951
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881981
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 120589424
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881963
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 120596728) is 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is CC(N)(C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is PEQDTLBFTKBFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(24,20-7-3-2-4-8-20)22(29)26-17-18-9-11-19(12-10-18)21(28)25-13-16-27-14-5-6-15-27/h2-4,7-12H,5-6,13-17,24H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 120596728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).